Task 38642979

Name shp2_A03_A13_r0_2-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND8727_0
Workunit 31589600
Created 7 May 2026, 10:33:26 UTC
Sent 7 May 2026, 10:33:32 UTC
Report deadline 12 May 2026, 10:33:32 UTC
Received 7 May 2026, 10:39:13 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 550955
Run time 1 min 18 sec
CPU time 2 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 23,247.12 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 51.25 MB
Peak swap size 37.25 MB
Peak disk usage 1.52 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
Das Betriebssystem kann <sporadic_ac> nicht ausf�hren.
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
12:35:08 (20484): wrapper (7.9.26016): starting
12:35:08 (20484): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A03_A13_0.pdb
QB_A03_A13_0.xml
QB_A03_A13.inpcrd
QB_A03_A13_input.yaml
QB_A03_A13.pdb
QB_A03_A13.prmtop
QB_A03_A13_sys.xml
run.bat
run.sh
12:35:29 (20484): Library/usr/bin/tar.exe exited; CPU time 0.093750
12:35:29 (20484): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
WARNING: Retrying (Retry(total=4, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x0000023F2ED77A90>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /simple/pyaml/
WARNING: Retrying (Retry(total=3, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x0000023F339A0350>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /simple/pyaml/
WARNING: Retrying (Retry(total=2, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x0000023F339A0A10>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /simple/pyaml/
WARNING: Retrying (Retry(total=1, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x0000023F339A1350>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /simple/pyaml/
WARNING: Retrying (Retry(total=0, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x0000023F339A1D90>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /simple/pyaml/
ERROR: Could not find a version that satisfies the requirement pyaml (from versions: none)
ERROR: No matching distribution found for pyaml
WARNING: Retrying (Retry(total=4, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x000001BF7A1A0750>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /simple/atom-openmm/
WARNING: Retrying (Retry(total=3, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x000001BF7A1A1D10>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /simple/atom-openmm/
WARNING: Retrying (Retry(total=2, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x000001BF7A1A2D50>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /simple/atom-openmm/
WARNING: Retrying (Retry(total=1, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x000001BF7A1A3850>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /simple/atom-openmm/
WARNING: Retrying (Retry(total=0, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x000001BF7A1B84D0>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /simple/atom-openmm/
ERROR: Could not find a version that satisfies the requirement atom-openmm (from versions: none)
ERROR: No matching distribution found for atom-openmm
python.exe: can't open file 'C:\\ProgramData\\BOINC\\slots\\25\\Scripts\\rbfe_production.exe': [Errno 2] No such file or directory
12:36:04 (20484): C:/Windows/system32/cmd.exe exited; CPU time 2.062500
12:36:04 (20484): app exit status: 0x16
12:36:04 (20484): called boinc_finish(195)
0 bytes in 0 Free Blocks.
726 bytes in 8 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 728781 bytes.
Dumping objects ->
{3835251} normal block at 0x000002108519F2E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835240} normal block at 0x0000021083577B30, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835229} normal block at 0x0000021083577AC0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835218} normal block at 0x0000021083577A50, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835207} normal block at 0x0000021083577970, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835176} normal block at 0x00000210851E8CD0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835165} normal block at 0x00000210850FEE90, 235 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835162} normal block at 0x000002108356E6B0, 8 bytes long.
 Data: <  Q&#131;    > 00 00 51 83 10 02 00 00 
{3834559} normal block at 0x000002108364EE60, 235 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x000002108356DF30, 8 bytes long.
 Data: < z$&#133;    > 90 7A 24 85 10 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000021083561E80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000210835630A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x0000021083578200, 16 bytes long.
 Data: <&#248;&#147;W&#131;            > F8 93 57 83 10 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000021083579060, 16 bytes long.
 Data: <&#208;&#147;W&#131;            > D0 93 57 83 10 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000021083571FB0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x00000210835781B0, 16 bytes long.
 Data: <&#168;&#147;W&#131;            > A8 93 57 83 10 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021083578520, 16 bytes long.
 Data: < &#147;W&#131;            > 80 93 57 83 10 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021083578430, 16 bytes long.
 Data: <X&#147;W&#131;            > 58 93 57 83 10 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021083578C00, 16 bytes long.
 Data: <0&#147;W&#131;            > 30 93 57 83 10 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000021083577CF0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x0000021083578C50, 16 bytes long.
 Data: <  V&#131;            > 08 02 56 83 10 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000210835718F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x0000021083578F70, 16 bytes long.
 Data: <&#224; V&#131;            > E0 01 56 83 10 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021083578660, 16 bytes long.
 Data: <&#184; V&#131;            > B8 01 56 83 10 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021083578160, 16 bytes long.
 Data: <  V&#131;            > 90 01 56 83 10 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021083578390, 16 bytes long.
 Data: <h V&#131;            > 68 01 56 83 10 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021083578B60, 16 bytes long.
 Data: <@ V&#131;            > 40 01 56 83 10 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021083578E80, 16 bytes long.
 Data: <  V&#131;            > 18 01 56 83 10 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000210835726D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x0000021083578480, 16 bytes long.
 Data: <&#240; V&#131;            > F0 00 56 83 10 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000210835600F0, 320 bytes long.
 Data: < &#132;W&#131;    &#208;&W&#131;    > 80 84 57 83 10 02 00 00 D0 26 57 83 10 02 00 00 
{273} normal block at 0x0000021083578340, 16 bytes long.
 Data: < &#147;W&#131;            > 10 93 57 83 10 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021083578CF0, 16 bytes long.
 Data: <&#232;&#146;W&#131;            > E8 92 57 83 10 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021083572130, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x00000210835784D0, 16 bytes long.
 Data: <&#192;&#146;W&#131;            > C0 92 57 83 10 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021083571BF0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x00000210835783E0, 16 bytes long.
 Data: < &#146;W&#131;            > 08 92 57 83 10 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021083578B10, 16 bytes long.
 Data: <&#224;&#145;W&#131;            > E0 91 57 83 10 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021083578D90, 16 bytes long.
 Data: <&#184;&#145;W&#131;            > B8 91 57 83 10 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021083578980, 16 bytes long.
 Data: < &#145;W&#131;            > 90 91 57 83 10 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021083578D40, 16 bytes long.
 Data: <h&#145;W&#131;            > 68 91 57 83 10 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000210835788E0, 16 bytes long.
 Data: <@&#145;W&#131;            > 40 91 57 83 10 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021083578610, 16 bytes long.
 Data: <  W&#131;            > 20 7F 57 83 10 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000021083577F20, 40 bytes long.
 Data: < &#134;W&#131;    &#208;&#140; &#133;    > 10 86 57 83 10 02 00 00 D0 8C 1E 85 10 02 00 00 
{259} normal block at 0x0000021083578E30, 16 bytes long.
 Data: < &#145;W&#131;            > 20 91 57 83 10 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000021083578F20, 16 bytes long.
 Data: <&#248; W&#131;            > F8 90 57 83 10 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000021083571E30, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x0000021083578700, 16 bytes long.
 Data: <&#208; W&#131;            > D0 90 57 83 10 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000210835790D0, 992 bytes long.
 Data: < &#135;W&#131;    0 W&#131;    > 00 87 57 83 10 02 00 00 30 1E 57 83 10 02 00 00 
{91} normal block at 0x00000210835725B0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x000002108356EB10, 16 bytes long.
 Data: < &#211;U&#131;            > 10 D3 55 83 10 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000002108355D310, 40 bytes long.
 Data: < &#235;V&#131;    &#176;%W&#131;    > 10 EB 56 83 10 02 00 00 B0 25 57 83 10 02 00 00 
{68} normal block at 0x000002108356ED40, 16 bytes long.
 Data: < &#234;&#203;K&#247;           > 80 EA CB 4B F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002108356E110, 16 bytes long.
 Data: <@&#233;&#203;K&#247;           > 40 E9 CB 4B F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002108356E520, 16 bytes long.
 Data: <&#248;W&#200;K&#247;           > F8 57 C8 4B F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002108356E4D0, 16 bytes long.
 Data: <&#216;W&#200;K&#247;           > D8 57 C8 4B F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002108356E480, 16 bytes long.
 Data: <P &#200;K&#247;           > 50 04 C8 4B F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002108356E430, 16 bytes long.
 Data: <0 &#200;K&#247;           > 30 04 C8 4B F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002108356E0C0, 16 bytes long.
 Data: <&#224; &#200;K&#247;           > E0 02 C8 4B F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002108356E390, 16 bytes long.
 Data: <  &#200;K&#247;           > 10 04 C8 4B F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002108356ECF0, 16 bytes long.
 Data: <p &#200;K&#247;           > 70 04 C8 4B F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002108356EE80, 16 bytes long.
 Data: < &#192;&#198;K&#247;           > 18 C0 C6 4B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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